N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methyl-1H-indazole-6-carboxamide

C13H16N4O2 — CID 62919735

IUPACN-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methyl-1H-indazole-6-carboxamide
SMILESCN(C(=O)c1ccc2cn[nH]c2c1)[C@@H]1CNC[C@H]1O
InChIInChI=1S/C13H16N4O2/c1-17(11-6-14-7-12(11)18)13(19)8-2-3-9-5-15-16-10(9)4-8/h2-5,11-12,14,18H,6-7H2,1H3,(H,15,16)/t11-,12-/m1/s1
InChIKeyLIJDIUQFJBYDTE-VXGBXAGGSA-N
MW260.30 g/mol
LogP-0.03
Rot. Bonds2

About N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methyl-1H-indazole-6-carboxamide

N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methyl-1H-indazole-6-carboxamide (PubChem CID 62919735) has the molecular formula C13H16N4O2 and a molecular weight of 260.30 g/mol. Its IUPAC name is N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methyl-1H-indazole-6-carboxamide.

Molecular Properties

Compound NameN-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methyl-1H-indazole-6-carboxamide
PubChem CID62919735
Molecular FormulaC13H16N4O2
Molecular Weight260.30 g/mol
Exact Mass260.13
IUPAC NameN-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methyl-1H-indazole-6-carboxamide
SMILESCN(C(=O)c1ccc2cn[nH]c2c1)[C@@H]1CNC[C@H]1O
InChIInChI=1S/C13H16N4O2/c1-17(11-6-14-7-12(11)18)13(19)8-2-3-9-5-15-16-10(9)4-8/h2-5,11-12,14,18H,6-7H2,1H3,(H,15,16)/t11-,12-/m1/s1
InChIKeyLIJDIUQFJBYDTE-VXGBXAGGSA-N
XLogP-0.03
TPSA81.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 5-0.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methyl-1H-indazole-6-carboxamide?
The IUPAC name of N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methyl-1H-indazole-6-carboxamide (CID 62919735) is N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methyl-1H-indazole-6-carboxamide.
What is the SMILES notation for N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methyl-1H-indazole-6-carboxamide?
The canonical SMILES for N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methyl-1H-indazole-6-carboxamide is CN(C(=O)c1ccc2cn[nH]c2c1)[C@@H]1CNC[C@H]1O.
What is the InChIKey of N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methyl-1H-indazole-6-carboxamide?
The InChIKey is LIJDIUQFJBYDTE-VXGBXAGGSA-N. The full InChI is InChI=1S/C13H16N4O2/c1-17(11-6-14-7-12(11)18)13(19)8-2-3-9-5-15-16-10(9)4-8/h2-5,11-12,14,18H,6-7H2,1H3,(H,15,16)/t11-,12-/m1/s1.
What are the key properties of N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methyl-1H-indazole-6-carboxamide?
N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methyl-1H-indazole-6-carboxamide has a molecular weight of 260.30 g/mol, XLogP of -0.03, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methyl-1H-indazole-6-carboxamide is sourced from PubChem (CID 62919735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).